2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-3520 |
| Compound Name: | 2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C24 H22 N4 O3 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CC=C)C(=S)S1)=O)C2=O)NCC(c1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6395 |
| logD: | 2.6391 |
| logSw: | -2.8887 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.608 |
| InChI Key: | DBIQQGIIDFHOAT-SFHVURJKSA-N |